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Xavier Barril

Showing results (21-30 of 82) with videos related to

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Current Topics in Medicinal Chemistry|October 14, 2010
Protein flexibility and ligand recognition: challenges for molecular modelingFrancesca Spyrakis, Axel BidonChanal, Xavier Barril, et al.
Journal of Computational Chemistry|August 21, 2007
Extension of the MST continuum solvation model to the RM1 semiempirical HamiltonianFlavio Forti, Xavier Barril, F Javier Luque, et al.
Current Drug Discovery Technologies|December 24, 2021
Extracting Atomic Contributions to Binding Free Energy Using Molecular Dynamics Simulations with Mixed Solvents (MDmix)Daniel Alvarez-Garcia, Peter Schmidtke, Elena Cubero, et al.
Nature Communications|September 10, 2024
Comprehensive detection and characterization of human druggable pockets through binding site descriptorsArnau Comajuncosa-Creus, Guillem Jorba, Xavier Barril, et al.
Pharmaceutical Patent Analyst|November 19, 2013
Pharmacological chaperones for enzyme enhancement therapy in genetic diseasesJuan Aymami, Xavier Barril, Laura Rodríguez-Pascau, et al.
Journal of the American Chemical Society|October 11, 2011
Shielded hydrogen bonds as structural determinants of binding kinetics: application in drug designPeter Schmidtke, F Javier Luque, James B Murray, et al.
Biochimica Et Biophysica Acta|May 4, 2016
Inherent conformational flexibility of F1-ATPase α-subunitOtto Hahn-Herrera, Guillermo Salcedo, Xavier Barril, et al.
Bioinformatics (Oxford, England)|October 5, 2011
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectoriesPeter Schmidtke, Axel Bidon-Chanal, F Javier Luque, et al.
Journal of Chemical Theory and Computation|November 28, 2015
Ensemble Docking from Homology ModelsEva Maria Novoa, Lluis Ribas de Pouplana, Xavier Barril, et al.
Bioinformatics (Oxford, England)|November 23, 2020
Extended connectivity interaction features: improving binding affinity prediction through chemical descriptionNorberto Sánchez-Cruz, José L Medina-Franco, Jordi Mestres, et al.
Pageof 9

Showing results (21-30 of 82) with videos related to

Sort By:
Pageof 9
Current Topics in Medicinal Chemistry|October 14, 2010
Protein flexibility and ligand recognition: challenges for molecular modelingFrancesca Spyrakis, Axel BidonChanal, Xavier Barril, et al.
Journal of Computational Chemistry|August 21, 2007
Extension of the MST continuum solvation model to the RM1 semiempirical HamiltonianFlavio Forti, Xavier Barril, F Javier Luque, et al.
Current Drug Discovery Technologies|December 24, 2021
Extracting Atomic Contributions to Binding Free Energy Using Molecular Dynamics Simulations with Mixed Solvents (MDmix)Daniel Alvarez-Garcia, Peter Schmidtke, Elena Cubero, et al.
Nature Communications|September 10, 2024
Comprehensive detection and characterization of human druggable pockets through binding site descriptorsArnau Comajuncosa-Creus, Guillem Jorba, Xavier Barril, et al.
Pharmaceutical Patent Analyst|November 19, 2013
Pharmacological chaperones for enzyme enhancement therapy in genetic diseasesJuan Aymami, Xavier Barril, Laura Rodríguez-Pascau, et al.
Journal of the American Chemical Society|October 11, 2011
Shielded hydrogen bonds as structural determinants of binding kinetics: application in drug designPeter Schmidtke, F Javier Luque, James B Murray, et al.
Biochimica Et Biophysica Acta|May 4, 2016
Inherent conformational flexibility of F1-ATPase α-subunitOtto Hahn-Herrera, Guillermo Salcedo, Xavier Barril, et al.
Bioinformatics (Oxford, England)|October 5, 2011
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectoriesPeter Schmidtke, Axel Bidon-Chanal, F Javier Luque, et al.
Journal of Chemical Theory and Computation|November 28, 2015
Ensemble Docking from Homology ModelsEva Maria Novoa, Lluis Ribas de Pouplana, Xavier Barril, et al.
Bioinformatics (Oxford, England)|November 23, 2020
Extended connectivity interaction features: improving binding affinity prediction through chemical descriptionNorberto Sánchez-Cruz, José L Medina-Franco, Jordi Mestres, et al.
Pageof 9